(3R)-3-azaniumyl-3-(1,3-benzodioxol-5-yl)-2,2-dimethyl-propanoate

Systemtic Name: (3R)-3-azaniumyl-3-(1,3-benzodioxol-5-yl)-2,2-dimethyl-propanoate Openeye Name: (3R)-3-azaniumyl-3-(1,3-benzodioxol-5-yl)-2,2-dimethyl-propanoate CAS Name: (3R)-3-ammonio-3-(1,3-benzodioxol-5-yl)-2,2-dimethylpropanoate IUPAC Name: (3R)-3-azaniumyl-3-(1,3-benzodioxol-5-yl)-2,2-dimethylpropanoate Traditional Name: (3R)-3-ammonio-3-(1,3-benzodioxol-5-yl)-2,2-dimethyl-propionate Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC2=C(C=C1)OCO2)[NH3+])C(=O)[O-]

Isomeric SMILES

CC(C)([C@@H](C1=CC2=C(C=C1)OCO2)[NH3+])C(=O)[O-]

InChI

InChI=1S/C12H15NO4/c1-12(2,11(14)15)10(13)7-3-4-8-9(5-7)17-6-16-8/h3-5,10H,6,13H2,1-2H3,(H,14,15)/t10-/m1/s1